N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide

C22H25N3O3 — CID 9372355

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cnn(-c3ccccc3)c2)cc1OCC
InChIInChI=1S/C22H25N3O3/c1-3-27-20-11-10-17(14-21(20)28-4-2)12-13-23-22(26)18-15-24-25(16-18)19-8-6-5-7-9-19/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,23,26)
InChIKeyCTJJYCCYESTTFM-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.64
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 9372355) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID9372355
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cnn(-c3ccccc3)c2)cc1OCC
InChIInChI=1S/C22H25N3O3/c1-3-27-20-11-10-17(14-21(20)28-4-2)12-13-23-22(26)18-15-24-25(16-18)19-8-6-5-7-9-19/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,23,26)
InChIKeyCTJJYCCYESTTFM-UHFFFAOYSA-N
XLogP3.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 50772964
1-(4-bromophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrazole-4-carboxamide
CID 50772666
N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577690
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27757113
N-[3-[[N-[2-(3,4-diethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111245923
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
3-ethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39108144
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 9372355) is N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide is CCOc1ccc(CCNC(=O)c2cnn(-c3ccccc3)c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is CTJJYCCYESTTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-27-20-11-10-17(14-21(20)28-4-2)12-13-23-22(26)18-15-24-25(16-18)19-8-6-5-7-9-19/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9372355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).